Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | F2 | P00734 | 3/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.46 |
| ▸ | HTR6 | P50406 | 4/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31286100 | 0.88 | CA1 (0.61) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL2323729 | 0.88 | CA1 (0.61) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL22408819 | 0.88 | CDK2 (0.39) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL11440044 | 0.85 | CA1 (0.57) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL5544560 | 0.81 | CA1 (0.53) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL28479851 | 0.81 | CA1 (0.53) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL1002263 | 0.81 | CA1 (0.57) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL29093707 | 0.81 | CA1 (0.57) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL29732947 | 0.81 | CA1 (0.57) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL10766580 | 0.80 | CA1 (0.52) | CA1CA2CA9F2PRSS1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685138-A1 | REGIOSPECIFIC SYNTHESIS OF NICOTINE DERIVATIVES | North Carolina State University (US) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005058920-A1 | REGIOSPECIFIC SYNTHESIS OF NICOTINE DERIVATIVES | NORTH CAROLINA STATE UNIVERSITY (US) | 2005-06-30 | — | — | WO | disclosed |
| CN-1036393-C | 7-(2-aminoethyl)-benzothiazolones | ASTRA PHARMA PROD (GB) | 1997-11-12 | — | — | CN | disclosed |
| CN-1085899-A | 7 (2-aminoethyl)-benzothiazolones | FISONS PLC (GB) | 1994-04-27 | — | — | CN | disclosed |